USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 572 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 LYS NZ :NH3+ -155:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Set 2.1: A 46 ASN : amide:sc= -1.14 X(o=-1.7,f=-2) USER MOD Set 2.2: A 49 GLN : amide:sc= -0.566 K(o=-1.7,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.136 (180deg=0) USER MOD Single : A 3 MET CE :methyl -169:sc= 0 (180deg=-0.201) USER MOD Single : A 5 SER OG : rot -46:sc= 0.122 USER MOD Single : A 7 LYS NZ :NH3+ 163:sc= -0.0755 (180deg=-0.372) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 17 GLN : amide:sc= -1.12 K(o=-1.1,f=-1.9!) USER MOD Single : A 19 GLN : amide:sc= -0.0871 X(o=-0.087,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.0116 K(o=0.012,f=-1!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 30:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.334 USER MOD Single : A 34 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.42) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0.083) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -112:sc= 0.0879 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.125 9.983 -11.115 1.00 0.00 N ATOM 2 CA GLY A 1 -0.307 8.643 -11.719 1.00 0.00 C ATOM 3 C GLY A 1 1.002 7.923 -11.889 1.00 0.00 C ATOM 4 O GLY A 1 2.060 8.464 -11.564 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.580 10.007 -10.180 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.890 10.182 -11.011 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.557 10.702 -11.729 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.970 8.048 -11.090 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.794 8.745 -12.689 1.00 0.00 H new ATOM 10 N PRO A 2 0.975 6.689 -12.389 1.00 0.00 N ATOM 11 CA PRO A 2 2.141 5.822 -12.435 1.00 0.00 C ATOM 12 C PRO A 2 3.086 6.214 -13.540 1.00 0.00 C ATOM 13 O PRO A 2 4.242 5.801 -13.484 1.00 0.00 O ATOM 14 CB PRO A 2 1.560 4.419 -12.680 1.00 0.00 C ATOM 15 CG PRO A 2 0.215 4.671 -13.370 1.00 0.00 C ATOM 16 CD PRO A 2 -0.256 5.977 -12.729 1.00 0.00 C ATOM 0 HA PRO A 2 2.728 5.881 -11.519 1.00 0.00 H new ATOM 0 HB2 PRO A 2 2.221 3.820 -13.307 1.00 0.00 H new ATOM 0 HB3 PRO A 2 1.430 3.875 -11.744 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.326 4.768 -14.450 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.489 3.857 -13.194 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.871 6.556 -13.417 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.861 5.787 -11.843 1.00 0.00 H new ATOM 24 N MET A 3 2.620 6.989 -14.546 1.00 0.00 N ATOM 25 CA MET A 3 3.448 7.450 -15.631 1.00 0.00 C ATOM 26 C MET A 3 3.685 8.910 -15.403 1.00 0.00 C ATOM 27 O MET A 3 2.820 9.620 -14.889 1.00 0.00 O ATOM 28 CB MET A 3 2.795 7.257 -17.018 1.00 0.00 C ATOM 29 CG MET A 3 2.448 5.787 -17.332 1.00 0.00 C ATOM 30 SD MET A 3 3.848 4.618 -17.257 1.00 0.00 S ATOM 31 CE MET A 3 4.765 5.236 -18.698 1.00 0.00 C ATOM 0 H MET A 3 1.651 7.301 -14.608 1.00 0.00 H new ATOM 0 HA MET A 3 4.369 6.867 -15.640 1.00 0.00 H new ATOM 0 HB2 MET A 3 1.886 7.856 -17.070 1.00 0.00 H new ATOM 0 HB3 MET A 3 3.471 7.635 -17.785 1.00 0.00 H new ATOM 0 HG2 MET A 3 1.682 5.455 -16.632 1.00 0.00 H new ATOM 0 HG3 MET A 3 2.010 5.740 -18.329 1.00 0.00 H new ATOM 0 HE1 MET A 3 5.561 4.536 -18.950 1.00 0.00 H new ATOM 0 HE2 MET A 3 4.087 5.335 -19.546 1.00 0.00 H new ATOM 0 HE3 MET A 3 5.198 6.209 -18.464 1.00 0.00 H new ATOM 41 N ALA A 4 4.895 9.378 -15.774 1.00 0.00 N ATOM 42 CA ALA A 4 5.282 10.755 -15.633 1.00 0.00 C ATOM 43 C ALA A 4 6.326 10.950 -16.695 1.00 0.00 C ATOM 44 O ALA A 4 6.052 10.734 -17.874 1.00 0.00 O ATOM 45 CB ALA A 4 5.834 11.076 -14.225 1.00 0.00 C ATOM 0 H ALA A 4 5.621 8.788 -16.181 1.00 0.00 H new ATOM 0 HA ALA A 4 4.433 11.428 -15.748 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.111 12.129 -14.174 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.069 10.865 -13.478 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.712 10.460 -14.029 1.00 0.00 H new ATOM 51 N SER A 5 7.561 11.338 -16.291 1.00 0.00 N ATOM 52 CA SER A 5 8.717 11.416 -17.155 1.00 0.00 C ATOM 53 C SER A 5 9.565 10.192 -16.883 1.00 0.00 C ATOM 54 O SER A 5 10.761 10.160 -17.171 1.00 0.00 O ATOM 55 CB SER A 5 9.522 12.716 -16.888 1.00 0.00 C ATOM 56 OG SER A 5 10.485 12.974 -17.905 1.00 0.00 O ATOM 0 H SER A 5 7.763 11.607 -15.328 1.00 0.00 H new ATOM 0 HA SER A 5 8.410 11.444 -18.200 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.834 13.559 -16.820 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.026 12.637 -15.925 1.00 0.00 H new ATOM 0 HG SER A 5 10.977 12.151 -18.106 1.00 0.00 H new ATOM 62 N ASP A 6 8.927 9.142 -16.322 1.00 0.00 N ATOM 63 CA ASP A 6 9.545 7.893 -15.979 1.00 0.00 C ATOM 64 C ASP A 6 8.486 6.866 -16.282 1.00 0.00 C ATOM 65 O ASP A 6 7.357 7.206 -16.640 1.00 0.00 O ATOM 66 CB ASP A 6 9.959 7.855 -14.478 1.00 0.00 C ATOM 67 CG ASP A 6 10.903 6.694 -14.149 1.00 0.00 C ATOM 68 OD1 ASP A 6 12.005 6.638 -14.757 1.00 0.00 O ATOM 69 OD2 ASP A 6 10.532 5.850 -13.290 1.00 0.00 O ATOM 0 H ASP A 6 7.932 9.166 -16.097 1.00 0.00 H new ATOM 0 HA ASP A 6 10.466 7.719 -16.535 1.00 0.00 H new ATOM 0 HB2 ASP A 6 10.443 8.796 -14.216 1.00 0.00 H new ATOM 0 HB3 ASP A 6 9.064 7.775 -13.861 1.00 0.00 H new ATOM 74 N LYS A 7 8.838 5.566 -16.146 1.00 0.00 N ATOM 75 CA LYS A 7 7.936 4.463 -16.361 1.00 0.00 C ATOM 76 C LYS A 7 7.229 4.183 -15.064 1.00 0.00 C ATOM 77 O LYS A 7 7.401 4.896 -14.076 1.00 0.00 O ATOM 78 CB LYS A 7 8.666 3.177 -16.826 1.00 0.00 C ATOM 79 CG LYS A 7 9.587 3.340 -18.055 1.00 0.00 C ATOM 80 CD LYS A 7 8.886 3.609 -19.404 1.00 0.00 C ATOM 81 CE LYS A 7 8.543 5.076 -19.722 1.00 0.00 C ATOM 82 NZ LYS A 7 9.747 5.940 -19.695 1.00 0.00 N ATOM 0 H LYS A 7 9.778 5.273 -15.879 1.00 0.00 H new ATOM 0 HA LYS A 7 7.240 4.741 -17.152 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.262 2.798 -15.995 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.918 2.418 -17.053 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.278 4.160 -17.859 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.187 2.435 -18.155 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.524 3.228 -20.201 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.963 3.030 -19.430 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.075 5.135 -20.705 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.815 5.444 -18.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.543 6.835 -20.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.012 6.136 -18.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.533 5.456 -20.175 1.00 0.00 H new ATOM 96 N ARG A 8 6.396 3.119 -15.054 1.00 0.00 N ATOM 97 CA ARG A 8 5.641 2.715 -13.895 1.00 0.00 C ATOM 98 C ARG A 8 6.500 1.786 -13.074 1.00 0.00 C ATOM 99 O ARG A 8 7.382 1.138 -13.635 1.00 0.00 O ATOM 100 CB ARG A 8 4.314 2.015 -14.278 1.00 0.00 C ATOM 101 CG ARG A 8 4.469 0.764 -15.163 1.00 0.00 C ATOM 102 CD ARG A 8 3.134 0.148 -15.611 1.00 0.00 C ATOM 103 NE ARG A 8 2.446 1.089 -16.567 1.00 0.00 N ATOM 104 CZ ARG A 8 1.280 1.752 -16.292 1.00 0.00 C ATOM 105 NH1 ARG A 8 0.636 1.600 -15.100 1.00 0.00 N ATOM 106 NH2 ARG A 8 0.750 2.588 -17.234 1.00 0.00 N ATOM 0 H ARG A 8 6.242 2.525 -15.869 1.00 0.00 H new ATOM 0 HA ARG A 8 5.374 3.604 -13.323 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.793 1.732 -13.363 1.00 0.00 H new ATOM 0 HB3 ARG A 8 3.679 2.733 -14.798 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.051 1.026 -16.046 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.039 0.013 -14.616 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.308 -0.814 -16.092 1.00 0.00 H new ATOM 0 HD3 ARG A 8 2.498 -0.039 -14.746 1.00 0.00 H new ATOM 0 HE ARG A 8 2.877 1.242 -17.479 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.022 0.980 -14.387 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.231 2.106 -14.921 1.00 0.00 H new ATOM 0 HH21 ARG A 8 1.222 2.712 -18.129 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.118 3.088 -17.042 1.00 0.00 H new ATOM 120 N PRO A 9 6.306 1.667 -11.762 1.00 0.00 N ATOM 121 CA PRO A 9 6.900 0.607 -10.964 1.00 0.00 C ATOM 122 C PRO A 9 6.138 -0.670 -11.221 1.00 0.00 C ATOM 123 O PRO A 9 5.035 -0.610 -11.765 1.00 0.00 O ATOM 124 CB PRO A 9 6.706 1.081 -9.517 1.00 0.00 C ATOM 125 CG PRO A 9 5.457 1.967 -9.563 1.00 0.00 C ATOM 126 CD PRO A 9 5.517 2.597 -10.952 1.00 0.00 C ATOM 0 HA PRO A 9 7.949 0.414 -11.189 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.569 0.238 -8.839 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.574 1.638 -9.163 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.546 1.384 -9.426 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.472 2.723 -8.778 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.518 2.731 -11.367 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.983 3.582 -10.918 1.00 0.00 H new ATOM 134 N ARG A 10 6.728 -1.831 -10.866 1.00 0.00 N ATOM 135 CA ARG A 10 6.105 -3.116 -11.058 1.00 0.00 C ATOM 136 C ARG A 10 6.273 -3.819 -9.746 1.00 0.00 C ATOM 137 O ARG A 10 5.362 -3.832 -8.920 1.00 0.00 O ATOM 138 CB ARG A 10 6.711 -3.968 -12.208 1.00 0.00 C ATOM 139 CG ARG A 10 6.445 -3.416 -13.624 1.00 0.00 C ATOM 140 CD ARG A 10 7.497 -2.411 -14.125 1.00 0.00 C ATOM 141 NE ARG A 10 7.067 -1.890 -15.465 1.00 0.00 N ATOM 142 CZ ARG A 10 7.822 -1.006 -16.188 1.00 0.00 C ATOM 143 NH1 ARG A 10 9.041 -0.589 -15.740 1.00 0.00 N ATOM 144 NH2 ARG A 10 7.346 -0.532 -17.377 1.00 0.00 N ATOM 0 H ARG A 10 7.653 -1.881 -10.438 1.00 0.00 H new ATOM 0 HA ARG A 10 5.066 -2.976 -11.357 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.788 -4.044 -12.058 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.309 -4.979 -12.145 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.397 -4.251 -14.323 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.467 -2.935 -13.635 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.602 -1.589 -13.416 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.472 -2.892 -14.202 1.00 0.00 H new ATOM 0 HE ARG A 10 6.178 -2.207 -15.852 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.404 -0.936 -14.852 1.00 0.00 H new ATOM 0 HH12 ARG A 10 9.589 0.070 -16.293 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.435 -0.837 -17.720 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.902 0.127 -17.922 1.00 0.00 H new ATOM 158 N THR A 11 7.468 -4.414 -9.521 1.00 0.00 N ATOM 159 CA THR A 11 7.804 -5.118 -8.308 1.00 0.00 C ATOM 160 C THR A 11 8.438 -4.119 -7.391 1.00 0.00 C ATOM 161 O THR A 11 7.979 -3.901 -6.269 1.00 0.00 O ATOM 162 CB THR A 11 8.754 -6.281 -8.554 1.00 0.00 C ATOM 163 OG1 THR A 11 8.160 -7.197 -9.466 1.00 0.00 O ATOM 164 CG2 THR A 11 9.064 -7.017 -7.231 1.00 0.00 C ATOM 0 H THR A 11 8.225 -4.405 -10.204 1.00 0.00 H new ATOM 0 HA THR A 11 6.902 -5.551 -7.876 1.00 0.00 H new ATOM 0 HB THR A 11 9.682 -5.888 -8.970 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.773 -7.945 -9.625 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.745 -7.846 -7.426 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.528 -6.324 -6.529 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.138 -7.401 -6.803 1.00 0.00 H new ATOM 172 N ALA A 12 9.520 -3.485 -7.885 1.00 0.00 N ATOM 173 CA ALA A 12 10.326 -2.552 -7.143 1.00 0.00 C ATOM 174 C ALA A 12 9.640 -1.219 -7.101 1.00 0.00 C ATOM 175 O ALA A 12 9.274 -0.658 -8.133 1.00 0.00 O ATOM 176 CB ALA A 12 11.726 -2.355 -7.752 1.00 0.00 C ATOM 0 H ALA A 12 9.849 -3.626 -8.840 1.00 0.00 H new ATOM 0 HA ALA A 12 10.448 -2.969 -6.143 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.288 -1.641 -7.150 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.253 -3.309 -7.769 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.630 -1.975 -8.769 1.00 0.00 H new ATOM 182 N PHE A 13 9.452 -0.703 -5.866 1.00 0.00 N ATOM 183 CA PHE A 13 8.844 0.577 -5.588 1.00 0.00 C ATOM 184 C PHE A 13 10.000 1.516 -5.346 1.00 0.00 C ATOM 185 O PHE A 13 11.156 1.106 -5.454 1.00 0.00 O ATOM 186 CB PHE A 13 7.949 0.542 -4.318 1.00 0.00 C ATOM 187 CG PHE A 13 6.673 -0.268 -4.445 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.301 -1.045 -5.565 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.795 -0.228 -3.348 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.115 -1.788 -5.559 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.594 -0.945 -3.355 1.00 0.00 C ATOM 192 CZ PHE A 13 4.254 -1.732 -4.458 1.00 0.00 C ATOM 0 H PHE A 13 9.736 -1.198 -5.021 1.00 0.00 H new ATOM 0 HA PHE A 13 8.201 0.879 -6.414 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.535 0.139 -3.492 1.00 0.00 H new ATOM 0 HB3 PHE A 13 7.685 1.565 -4.052 1.00 0.00 H new ATOM 0 HD1 PHE A 13 6.939 -1.066 -6.436 1.00 0.00 H new ATOM 0 HD2 PHE A 13 6.052 0.367 -2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.864 -2.407 -6.408 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.928 -0.890 -2.506 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.332 -2.294 -4.461 1.00 0.00 H new ATOM 202 N THR A 14 9.723 2.804 -5.015 1.00 0.00 N ATOM 203 CA THR A 14 10.761 3.744 -4.648 1.00 0.00 C ATOM 204 C THR A 14 10.554 4.047 -3.190 1.00 0.00 C ATOM 205 O THR A 14 9.618 3.549 -2.571 1.00 0.00 O ATOM 206 CB THR A 14 10.819 5.013 -5.497 1.00 0.00 C ATOM 207 OG1 THR A 14 9.607 5.757 -5.461 1.00 0.00 O ATOM 208 CG2 THR A 14 11.134 4.618 -6.954 1.00 0.00 C ATOM 0 H THR A 14 8.781 3.195 -5.001 1.00 0.00 H new ATOM 0 HA THR A 14 11.733 3.289 -4.839 1.00 0.00 H new ATOM 0 HB THR A 14 11.598 5.653 -5.084 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.698 6.558 -6.018 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.179 5.514 -7.572 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.094 4.103 -6.992 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.352 3.957 -7.329 1.00 0.00 H new ATOM 216 N ALA A 15 11.454 4.872 -2.607 1.00 0.00 N ATOM 217 CA ALA A 15 11.452 5.225 -1.207 1.00 0.00 C ATOM 218 C ALA A 15 10.323 6.165 -0.873 1.00 0.00 C ATOM 219 O ALA A 15 9.882 6.221 0.272 1.00 0.00 O ATOM 220 CB ALA A 15 12.769 5.910 -0.797 1.00 0.00 C ATOM 0 H ALA A 15 12.213 5.311 -3.129 1.00 0.00 H new ATOM 0 HA ALA A 15 11.330 4.290 -0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.733 6.162 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.604 5.234 -0.981 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.903 6.820 -1.382 1.00 0.00 H new ATOM 226 N GLU A 16 9.828 6.915 -1.888 1.00 0.00 N ATOM 227 CA GLU A 16 8.770 7.883 -1.774 1.00 0.00 C ATOM 228 C GLU A 16 7.438 7.183 -1.712 1.00 0.00 C ATOM 229 O GLU A 16 6.478 7.716 -1.156 1.00 0.00 O ATOM 230 CB GLU A 16 8.736 8.838 -2.993 1.00 0.00 C ATOM 231 CG GLU A 16 9.929 9.814 -3.094 1.00 0.00 C ATOM 232 CD GLU A 16 11.217 9.113 -3.531 1.00 0.00 C ATOM 233 OE1 GLU A 16 11.227 8.536 -4.652 1.00 0.00 O ATOM 234 OE2 GLU A 16 12.207 9.149 -2.752 1.00 0.00 O ATOM 0 H GLU A 16 10.188 6.840 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 16 8.958 8.456 -0.866 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.698 8.239 -3.903 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.814 9.418 -2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.689 10.605 -3.805 1.00 0.00 H new ATOM 0 HG3 GLU A 16 10.088 10.292 -2.127 1.00 0.00 H new ATOM 241 N GLN A 17 7.363 5.959 -2.283 1.00 0.00 N ATOM 242 CA GLN A 17 6.165 5.157 -2.309 1.00 0.00 C ATOM 243 C GLN A 17 6.036 4.444 -0.994 1.00 0.00 C ATOM 244 O GLN A 17 5.018 4.566 -0.316 1.00 0.00 O ATOM 245 CB GLN A 17 6.132 4.165 -3.487 1.00 0.00 C ATOM 246 CG GLN A 17 6.238 4.922 -4.822 1.00 0.00 C ATOM 247 CD GLN A 17 5.945 3.997 -6.005 1.00 0.00 C ATOM 248 OE1 GLN A 17 6.629 2.991 -6.218 1.00 0.00 O ATOM 249 NE2 GLN A 17 4.898 4.374 -6.798 1.00 0.00 N ATOM 0 H GLN A 17 8.158 5.513 -2.740 1.00 0.00 H new ATOM 0 HA GLN A 17 5.313 5.820 -2.461 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.954 3.455 -3.397 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.208 3.588 -3.460 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.537 5.757 -4.827 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.237 5.344 -4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.366 5.215 -6.575 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.648 3.814 -7.613 1.00 0.00 H new ATOM 258 N LEU A 18 7.114 3.729 -0.590 1.00 0.00 N ATOM 259 CA LEU A 18 7.257 3.003 0.651 1.00 0.00 C ATOM 260 C LEU A 18 7.168 3.874 1.884 1.00 0.00 C ATOM 261 O LEU A 18 6.934 3.362 2.975 1.00 0.00 O ATOM 262 CB LEU A 18 8.627 2.282 0.697 1.00 0.00 C ATOM 263 CG LEU A 18 8.814 1.203 -0.396 1.00 0.00 C ATOM 264 CD1 LEU A 18 10.294 0.790 -0.520 1.00 0.00 C ATOM 265 CD2 LEU A 18 7.915 -0.026 -0.170 1.00 0.00 C ATOM 0 H LEU A 18 7.947 3.653 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 18 6.424 2.300 0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.419 3.024 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.747 1.817 1.675 1.00 0.00 H new ATOM 0 HG LEU A 18 8.503 1.653 -1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.396 0.031 -1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.894 1.661 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.640 0.386 0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.085 -0.752 -0.965 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.153 -0.479 0.793 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.869 0.282 -0.178 1.00 0.00 H new ATOM 277 N GLN A 19 7.322 5.213 1.748 1.00 0.00 N ATOM 278 CA GLN A 19 7.172 6.192 2.805 1.00 0.00 C ATOM 279 C GLN A 19 5.786 6.124 3.391 1.00 0.00 C ATOM 280 O GLN A 19 5.604 5.860 4.579 1.00 0.00 O ATOM 281 CB GLN A 19 7.393 7.614 2.241 1.00 0.00 C ATOM 282 CG GLN A 19 7.199 8.777 3.235 1.00 0.00 C ATOM 283 CD GLN A 19 7.108 10.082 2.438 1.00 0.00 C ATOM 284 OE1 GLN A 19 8.008 10.928 2.489 1.00 0.00 O ATOM 285 NE2 GLN A 19 5.978 10.222 1.677 1.00 0.00 N ATOM 0 H GLN A 19 7.564 5.639 0.853 1.00 0.00 H new ATOM 0 HA GLN A 19 7.909 5.974 3.578 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.405 7.671 1.840 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.710 7.761 1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.293 8.627 3.822 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.031 8.819 3.938 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.270 9.488 1.676 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.845 11.060 1.111 1.00 0.00 H new ATOM 294 N ARG A 20 4.787 6.349 2.515 1.00 0.00 N ATOM 295 CA ARG A 20 3.375 6.370 2.801 1.00 0.00 C ATOM 296 C ARG A 20 2.861 5.043 3.287 1.00 0.00 C ATOM 297 O ARG A 20 2.072 4.993 4.226 1.00 0.00 O ATOM 298 CB ARG A 20 2.590 6.718 1.518 1.00 0.00 C ATOM 299 CG ARG A 20 1.078 6.967 1.692 1.00 0.00 C ATOM 300 CD ARG A 20 0.712 8.212 2.515 1.00 0.00 C ATOM 301 NE ARG A 20 1.172 9.446 1.784 1.00 0.00 N ATOM 302 CZ ARG A 20 2.225 10.228 2.178 1.00 0.00 C ATOM 303 NH1 ARG A 20 2.931 9.958 3.314 1.00 0.00 N ATOM 304 NH2 ARG A 20 2.579 11.300 1.408 1.00 0.00 N ATOM 0 H ARG A 20 4.978 6.531 1.530 1.00 0.00 H new ATOM 0 HA ARG A 20 3.231 7.115 3.584 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.035 7.609 1.075 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.724 5.906 0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.625 7.057 0.705 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.634 6.093 2.168 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.365 8.251 2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.180 8.162 3.498 1.00 0.00 H new ATOM 0 HE ARG A 20 0.666 9.717 0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.679 9.157 3.893 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.711 10.557 3.584 1.00 0.00 H new ATOM 0 HH21 ARG A 20 2.061 11.508 0.554 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.361 11.893 1.687 1.00 0.00 H new ATOM 318 N LEU A 21 3.294 3.938 2.631 1.00 0.00 N ATOM 319 CA LEU A 21 2.743 2.614 2.821 1.00 0.00 C ATOM 320 C LEU A 21 3.090 2.041 4.158 1.00 0.00 C ATOM 321 O LEU A 21 2.269 1.358 4.761 1.00 0.00 O ATOM 322 CB LEU A 21 3.250 1.606 1.772 1.00 0.00 C ATOM 323 CG LEU A 21 2.930 2.014 0.324 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.734 1.182 -0.683 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.423 1.967 0.008 1.00 0.00 C ATOM 0 H LEU A 21 4.050 3.965 1.947 1.00 0.00 H new ATOM 0 HA LEU A 21 1.666 2.754 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.329 1.494 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.806 0.631 1.973 1.00 0.00 H new ATOM 0 HG LEU A 21 3.236 3.056 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.484 1.496 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.800 1.331 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.491 0.127 -0.560 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.259 2.265 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.051 0.953 0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.891 2.650 0.671 1.00 0.00 H new ATOM 337 N LYS A 22 4.318 2.311 4.651 1.00 0.00 N ATOM 338 CA LYS A 22 4.793 1.808 5.920 1.00 0.00 C ATOM 339 C LYS A 22 4.201 2.608 7.047 1.00 0.00 C ATOM 340 O LYS A 22 3.996 2.090 8.143 1.00 0.00 O ATOM 341 CB LYS A 22 6.335 1.887 6.042 1.00 0.00 C ATOM 342 CG LYS A 22 7.102 0.951 5.092 1.00 0.00 C ATOM 343 CD LYS A 22 6.770 -0.538 5.259 1.00 0.00 C ATOM 344 CE LYS A 22 7.080 -1.144 6.636 1.00 0.00 C ATOM 345 NZ LYS A 22 8.526 -1.073 6.946 1.00 0.00 N ATOM 0 H LYS A 22 4.999 2.891 4.161 1.00 0.00 H new ATOM 0 HA LYS A 22 4.487 0.763 5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.649 2.913 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.618 1.652 7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.890 1.244 4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.171 1.092 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.709 -0.679 5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.320 -1.100 4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.516 -0.614 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.752 -2.183 6.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.701 -1.490 7.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.062 -1.599 6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.832 -0.079 6.947 1.00 0.00 H new ATOM 359 N ALA A 23 3.897 3.895 6.774 1.00 0.00 N ATOM 360 CA ALA A 23 3.366 4.823 7.740 1.00 0.00 C ATOM 361 C ALA A 23 1.890 4.629 7.956 1.00 0.00 C ATOM 362 O ALA A 23 1.368 5.041 8.990 1.00 0.00 O ATOM 363 CB ALA A 23 3.570 6.281 7.301 1.00 0.00 C ATOM 0 H ALA A 23 4.024 4.306 5.849 1.00 0.00 H new ATOM 0 HA ALA A 23 3.911 4.623 8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.156 6.950 8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.635 6.480 7.185 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.063 6.449 6.351 1.00 0.00 H new ATOM 369 N GLU A 24 1.176 3.995 6.993 1.00 0.00 N ATOM 370 CA GLU A 24 -0.231 3.706 7.152 1.00 0.00 C ATOM 371 C GLU A 24 -0.380 2.321 7.713 1.00 0.00 C ATOM 372 O GLU A 24 -1.291 2.093 8.501 1.00 0.00 O ATOM 373 CB GLU A 24 -1.077 3.876 5.863 1.00 0.00 C ATOM 374 CG GLU A 24 -0.712 2.948 4.696 1.00 0.00 C ATOM 375 CD GLU A 24 -1.513 3.348 3.460 1.00 0.00 C ATOM 376 OE1 GLU A 24 -2.762 3.180 3.479 1.00 0.00 O ATOM 377 OE2 GLU A 24 -0.884 3.832 2.481 1.00 0.00 O ATOM 0 H GLU A 24 1.571 3.683 6.106 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.631 4.450 7.841 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.125 3.716 6.115 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.985 4.908 5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.356 3.011 4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.924 1.912 4.961 1.00 0.00 H new ATOM 384 N PHE A 25 0.535 1.381 7.347 1.00 0.00 N ATOM 385 CA PHE A 25 0.490 -0.028 7.687 1.00 0.00 C ATOM 386 C PHE A 25 0.596 -0.251 9.175 1.00 0.00 C ATOM 387 O PHE A 25 0.026 -1.211 9.690 1.00 0.00 O ATOM 388 CB PHE A 25 1.622 -0.827 6.967 1.00 0.00 C ATOM 389 CG PHE A 25 1.568 -2.319 7.210 1.00 0.00 C ATOM 390 CD1 PHE A 25 0.520 -3.091 6.683 1.00 0.00 C ATOM 391 CD2 PHE A 25 2.546 -2.953 7.999 1.00 0.00 C ATOM 392 CE1 PHE A 25 0.440 -4.464 6.939 1.00 0.00 C ATOM 393 CE2 PHE A 25 2.460 -4.325 8.273 1.00 0.00 C ATOM 394 CZ PHE A 25 1.404 -5.079 7.747 1.00 0.00 C ATOM 0 H PHE A 25 1.351 1.618 6.783 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.478 -0.394 7.346 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.559 -0.641 5.895 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.589 -0.449 7.300 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.235 -2.618 6.072 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.369 -2.378 8.396 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.363 -5.048 6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.208 -4.800 8.890 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.333 -6.135 7.964 1.00 0.00 H new ATOM 404 N GLN A 26 1.328 0.633 9.897 1.00 0.00 N ATOM 405 CA GLN A 26 1.625 0.465 11.302 1.00 0.00 C ATOM 406 C GLN A 26 0.394 0.406 12.173 1.00 0.00 C ATOM 407 O GLN A 26 0.235 -0.532 12.954 1.00 0.00 O ATOM 408 CB GLN A 26 2.580 1.555 11.849 1.00 0.00 C ATOM 409 CG GLN A 26 2.307 2.990 11.366 1.00 0.00 C ATOM 410 CD GLN A 26 3.337 3.954 11.969 1.00 0.00 C ATOM 411 OE1 GLN A 26 4.238 3.551 12.716 1.00 0.00 O ATOM 412 NE2 GLN A 26 3.188 5.271 11.625 1.00 0.00 N ATOM 0 H GLN A 26 1.723 1.484 9.497 1.00 0.00 H new ATOM 0 HA GLN A 26 2.126 -0.502 11.353 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.529 1.543 12.938 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.601 1.288 11.575 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.353 3.031 10.278 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.301 3.294 11.654 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.429 5.554 11.005 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.836 5.970 11.988 1.00 0.00 H new ATOM 421 N THR A 27 -0.510 1.401 12.040 1.00 0.00 N ATOM 422 CA THR A 27 -1.712 1.496 12.833 1.00 0.00 C ATOM 423 C THR A 27 -2.762 0.669 12.152 1.00 0.00 C ATOM 424 O THR A 27 -3.433 -0.153 12.773 1.00 0.00 O ATOM 425 CB THR A 27 -2.187 2.937 12.966 1.00 0.00 C ATOM 426 OG1 THR A 27 -1.154 3.737 13.529 1.00 0.00 O ATOM 427 CG2 THR A 27 -3.448 3.038 13.854 1.00 0.00 C ATOM 0 H THR A 27 -0.406 2.159 11.366 1.00 0.00 H new ATOM 0 HA THR A 27 -1.515 1.134 13.842 1.00 0.00 H new ATOM 0 HB THR A 27 -2.438 3.297 11.968 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.465 4.663 13.610 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.759 4.080 13.927 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.252 2.449 13.412 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.223 2.656 14.850 1.00 0.00 H new ATOM 435 N ASN A 28 -2.907 0.908 10.838 1.00 0.00 N ATOM 436 CA ASN A 28 -3.985 0.424 10.032 1.00 0.00 C ATOM 437 C ASN A 28 -3.416 -0.480 8.983 1.00 0.00 C ATOM 438 O ASN A 28 -2.979 -0.036 7.924 1.00 0.00 O ATOM 439 CB ASN A 28 -4.671 1.600 9.314 1.00 0.00 C ATOM 440 CG ASN A 28 -5.379 2.518 10.320 1.00 0.00 C ATOM 441 OD1 ASN A 28 -4.973 3.670 10.511 1.00 0.00 O ATOM 442 ND2 ASN A 28 -6.459 1.982 10.965 1.00 0.00 N ATOM 0 H ASN A 28 -2.238 1.468 10.310 1.00 0.00 H new ATOM 0 HA ASN A 28 -4.705 -0.097 10.663 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -3.931 2.171 8.753 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.393 1.219 8.592 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -6.976 2.540 11.645 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.748 1.024 10.766 1.00 0.00 H new ATOM 449 N ARG A 29 -3.434 -1.801 9.253 1.00 0.00 N ATOM 450 CA ARG A 29 -2.919 -2.795 8.343 1.00 0.00 C ATOM 451 C ARG A 29 -3.870 -3.002 7.213 1.00 0.00 C ATOM 452 O ARG A 29 -3.483 -2.877 6.053 1.00 0.00 O ATOM 453 CB ARG A 29 -2.702 -4.180 8.987 1.00 0.00 C ATOM 454 CG ARG A 29 -1.556 -4.185 10.009 1.00 0.00 C ATOM 455 CD ARG A 29 -1.184 -5.584 10.515 1.00 0.00 C ATOM 456 NE ARG A 29 -2.342 -6.166 11.271 1.00 0.00 N ATOM 457 CZ ARG A 29 -2.438 -7.499 11.560 1.00 0.00 C ATOM 458 NH1 ARG A 29 -1.522 -8.393 11.089 1.00 0.00 N ATOM 459 NH2 ARG A 29 -3.470 -7.942 12.341 1.00 0.00 N ATOM 0 H ARG A 29 -3.812 -2.190 10.117 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.956 -2.403 8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.622 -4.496 9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.490 -4.910 8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.676 -3.727 9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.837 -3.564 10.860 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.923 -6.229 9.676 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.306 -5.528 11.159 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.087 -5.543 11.582 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.747 -8.071 10.509 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.612 -9.383 11.316 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.158 -7.280 12.701 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.552 -8.934 12.563 1.00 0.00 H new ATOM 473 N TYR A 30 -5.135 -3.348 7.548 1.00 0.00 N ATOM 474 CA TYR A 30 -6.121 -3.812 6.615 1.00 0.00 C ATOM 475 C TYR A 30 -6.600 -2.682 5.757 1.00 0.00 C ATOM 476 O TYR A 30 -7.411 -1.847 6.157 1.00 0.00 O ATOM 477 CB TYR A 30 -7.313 -4.483 7.327 1.00 0.00 C ATOM 478 CG TYR A 30 -6.822 -5.735 8.008 1.00 0.00 C ATOM 479 CD1 TYR A 30 -6.562 -6.891 7.252 1.00 0.00 C ATOM 480 CD2 TYR A 30 -6.566 -5.755 9.390 1.00 0.00 C ATOM 481 CE1 TYR A 30 -6.054 -8.044 7.861 1.00 0.00 C ATOM 482 CE2 TYR A 30 -6.054 -6.905 10.004 1.00 0.00 C ATOM 483 CZ TYR A 30 -5.796 -8.052 9.239 1.00 0.00 C ATOM 484 OH TYR A 30 -5.270 -9.212 9.850 1.00 0.00 O ATOM 0 H TYR A 30 -5.481 -3.302 8.506 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.647 -4.564 5.984 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -7.750 -3.802 8.057 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -8.096 -4.725 6.608 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.756 -6.889 6.190 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.766 -4.875 9.984 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.861 -8.927 7.270 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -5.858 -6.909 11.066 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.719 -9.701 9.204 1.00 0.00 H new ATOM 494 N LEU A 31 -6.042 -2.668 4.529 1.00 0.00 N ATOM 495 CA LEU A 31 -6.267 -1.720 3.482 1.00 0.00 C ATOM 496 C LEU A 31 -7.608 -1.998 2.871 1.00 0.00 C ATOM 497 O LEU A 31 -8.042 -3.147 2.803 1.00 0.00 O ATOM 498 CB LEU A 31 -5.181 -1.884 2.389 1.00 0.00 C ATOM 499 CG LEU A 31 -5.070 -0.716 1.392 1.00 0.00 C ATOM 500 CD1 LEU A 31 -4.373 0.500 2.019 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.351 -1.157 0.111 1.00 0.00 C ATOM 0 H LEU A 31 -5.374 -3.386 4.248 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.229 -0.708 3.886 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.215 -2.017 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.385 -2.798 1.831 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.084 -0.413 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.313 1.304 1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.943 0.840 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.367 0.221 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.285 -0.315 -0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.347 -1.503 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.909 -1.967 -0.359 1.00 0.00 H new ATOM 513 N THR A 32 -8.293 -0.927 2.415 1.00 0.00 N ATOM 514 CA THR A 32 -9.570 -1.027 1.753 1.00 0.00 C ATOM 515 C THR A 32 -9.294 -0.975 0.290 1.00 0.00 C ATOM 516 O THR A 32 -8.282 -0.423 -0.121 1.00 0.00 O ATOM 517 CB THR A 32 -10.582 0.042 2.157 1.00 0.00 C ATOM 518 OG1 THR A 32 -10.173 1.363 1.827 1.00 0.00 O ATOM 519 CG2 THR A 32 -10.748 -0.030 3.680 1.00 0.00 C ATOM 0 H THR A 32 -7.954 0.031 2.507 1.00 0.00 H new ATOM 0 HA THR A 32 -10.044 -1.962 2.053 1.00 0.00 H new ATOM 0 HB THR A 32 -11.505 -0.157 1.613 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.863 1.999 2.109 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.467 0.723 4.004 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.108 -1.020 3.960 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.787 0.156 4.160 1.00 0.00 H new ATOM 527 N GLU A 33 -10.210 -1.538 -0.527 1.00 0.00 N ATOM 528 CA GLU A 33 -10.148 -1.498 -1.972 1.00 0.00 C ATOM 529 C GLU A 33 -10.485 -0.118 -2.486 1.00 0.00 C ATOM 530 O GLU A 33 -10.265 0.182 -3.658 1.00 0.00 O ATOM 531 CB GLU A 33 -11.103 -2.527 -2.625 1.00 0.00 C ATOM 532 CG GLU A 33 -12.587 -2.349 -2.252 1.00 0.00 C ATOM 533 CD GLU A 33 -13.420 -3.440 -2.924 1.00 0.00 C ATOM 534 OE1 GLU A 33 -13.451 -3.468 -4.185 1.00 0.00 O ATOM 535 OE2 GLU A 33 -14.035 -4.256 -2.190 1.00 0.00 O ATOM 0 H GLU A 33 -11.025 -2.040 -0.175 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.125 -1.754 -2.246 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.003 -2.459 -3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.787 -3.530 -2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.709 -2.399 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.936 -1.365 -2.567 1.00 0.00 H new ATOM 542 N GLN A 34 -11.021 0.754 -1.595 1.00 0.00 N ATOM 543 CA GLN A 34 -11.448 2.086 -1.916 1.00 0.00 C ATOM 544 C GLN A 34 -10.253 2.981 -1.815 1.00 0.00 C ATOM 545 O GLN A 34 -10.007 3.791 -2.704 1.00 0.00 O ATOM 546 CB GLN A 34 -12.566 2.572 -0.956 1.00 0.00 C ATOM 547 CG GLN A 34 -13.475 3.694 -1.507 1.00 0.00 C ATOM 548 CD GLN A 34 -12.725 5.005 -1.776 1.00 0.00 C ATOM 549 OE1 GLN A 34 -12.685 5.477 -2.920 1.00 0.00 O ATOM 550 NE2 GLN A 34 -12.119 5.594 -0.702 1.00 0.00 N ATOM 0 H GLN A 34 -11.160 0.516 -0.613 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.864 2.105 -2.923 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.191 1.719 -0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.102 2.924 -0.035 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.941 3.354 -2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.279 3.883 -0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.183 5.162 0.220 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.603 6.465 -0.822 1.00 0.00 H new ATOM 559 N ARG A 35 -9.467 2.862 -0.722 1.00 0.00 N ATOM 560 CA ARG A 35 -8.350 3.742 -0.495 1.00 0.00 C ATOM 561 C ARG A 35 -7.152 3.298 -1.241 1.00 0.00 C ATOM 562 O ARG A 35 -6.321 4.123 -1.602 1.00 0.00 O ATOM 563 CB ARG A 35 -7.951 3.918 0.975 1.00 0.00 C ATOM 564 CG ARG A 35 -7.052 2.861 1.652 1.00 0.00 C ATOM 565 CD ARG A 35 -6.534 3.307 3.027 1.00 0.00 C ATOM 566 NE ARG A 35 -7.712 3.519 3.920 1.00 0.00 N ATOM 567 CZ ARG A 35 -8.120 2.636 4.881 1.00 0.00 C ATOM 568 NH1 ARG A 35 -7.417 1.496 5.147 1.00 0.00 N ATOM 569 NH2 ARG A 35 -9.258 2.899 5.589 1.00 0.00 N ATOM 0 H ARG A 35 -9.603 2.158 0.004 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.707 4.707 -0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.447 4.880 1.063 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.870 3.985 1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.613 1.933 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.204 2.644 1.003 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -5.869 2.552 3.447 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.955 4.226 2.936 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.248 4.379 3.806 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.567 1.287 4.624 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.742 0.853 5.869 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.793 3.746 5.398 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.573 2.248 6.308 1.00 0.00 H new ATOM 583 N ARG A 36 -7.067 1.972 -1.500 1.00 0.00 N ATOM 584 CA ARG A 36 -6.068 1.337 -2.337 1.00 0.00 C ATOM 585 C ARG A 36 -5.942 1.981 -3.691 1.00 0.00 C ATOM 586 O ARG A 36 -4.862 2.044 -4.278 1.00 0.00 O ATOM 587 CB ARG A 36 -6.499 -0.115 -2.576 1.00 0.00 C ATOM 588 CG ARG A 36 -5.698 -0.965 -3.555 1.00 0.00 C ATOM 589 CD ARG A 36 -6.201 -2.404 -3.419 1.00 0.00 C ATOM 590 NE ARG A 36 -6.156 -3.064 -4.748 1.00 0.00 N ATOM 591 CZ ARG A 36 -6.438 -4.391 -4.922 1.00 0.00 C ATOM 592 NH1 ARG A 36 -6.686 -5.197 -3.849 1.00 0.00 N ATOM 593 NH2 ARG A 36 -6.481 -4.912 -6.183 1.00 0.00 N ATOM 0 H ARG A 36 -7.729 1.303 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.112 1.424 -1.821 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.491 -0.625 -1.613 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.533 -0.100 -2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.831 -0.605 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.632 -0.907 -3.333 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.584 -2.952 -2.706 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.219 -2.411 -3.030 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.905 -2.506 -5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.662 -4.811 -2.905 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.895 -6.185 -3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.303 -4.312 -6.989 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.691 -5.901 -6.319 1.00 0.00 H new ATOM 607 N GLN A 37 -7.083 2.487 -4.198 1.00 0.00 N ATOM 608 CA GLN A 37 -7.177 2.959 -5.564 1.00 0.00 C ATOM 609 C GLN A 37 -6.714 4.386 -5.633 1.00 0.00 C ATOM 610 O GLN A 37 -6.348 4.885 -6.694 1.00 0.00 O ATOM 611 CB GLN A 37 -8.597 2.822 -6.163 1.00 0.00 C ATOM 612 CG GLN A 37 -9.543 4.014 -5.925 1.00 0.00 C ATOM 613 CD GLN A 37 -10.992 3.611 -6.210 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.822 3.555 -5.296 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.290 3.328 -7.515 1.00 0.00 N ATOM 0 H GLN A 37 -7.949 2.573 -3.666 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.531 2.323 -6.169 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.504 2.665 -7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.060 1.926 -5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.451 4.360 -4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.257 4.847 -6.568 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.564 3.391 -8.229 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.238 3.054 -7.774 1.00 0.00 H new ATOM 624 N SER A 38 -6.720 5.063 -4.464 1.00 0.00 N ATOM 625 CA SER A 38 -6.315 6.431 -4.305 1.00 0.00 C ATOM 626 C SER A 38 -4.841 6.473 -4.040 1.00 0.00 C ATOM 627 O SER A 38 -4.206 7.485 -4.315 1.00 0.00 O ATOM 628 CB SER A 38 -7.003 7.112 -3.109 1.00 0.00 C ATOM 629 OG SER A 38 -8.415 7.089 -3.261 1.00 0.00 O ATOM 0 H SER A 38 -7.022 4.635 -3.589 1.00 0.00 H new ATOM 0 HA SER A 38 -6.591 6.954 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.724 6.605 -2.186 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.658 8.143 -3.024 1.00 0.00 H new ATOM 0 HG SER A 38 -8.834 7.525 -2.490 1.00 0.00 H new ATOM 635 N LEU A 39 -4.257 5.357 -3.522 1.00 0.00 N ATOM 636 CA LEU A 39 -2.828 5.234 -3.320 1.00 0.00 C ATOM 637 C LEU A 39 -2.196 4.977 -4.663 1.00 0.00 C ATOM 638 O LEU A 39 -1.032 5.303 -4.889 1.00 0.00 O ATOM 639 CB LEU A 39 -2.372 4.055 -2.421 1.00 0.00 C ATOM 640 CG LEU A 39 -3.081 3.859 -1.061 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.353 2.767 -0.255 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.269 5.139 -0.225 1.00 0.00 C ATOM 0 H LEU A 39 -4.784 4.530 -3.240 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.529 6.159 -2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.489 3.135 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.306 4.177 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.098 3.546 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.853 2.629 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.371 1.830 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.319 3.068 -0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.775 4.893 0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.295 5.576 -0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.870 5.855 -0.786 1.00 0.00 H new ATOM 654 N ALA A 40 -2.991 4.378 -5.586 1.00 0.00 N ATOM 655 CA ALA A 40 -2.577 4.087 -6.938 1.00 0.00 C ATOM 656 C ALA A 40 -2.483 5.348 -7.758 1.00 0.00 C ATOM 657 O ALA A 40 -1.668 5.445 -8.674 1.00 0.00 O ATOM 658 CB ALA A 40 -3.528 3.101 -7.643 1.00 0.00 C ATOM 0 H ALA A 40 -3.948 4.088 -5.386 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.594 3.622 -6.862 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.173 2.915 -8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.554 2.162 -7.090 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.530 3.527 -7.682 1.00 0.00 H new ATOM 664 N GLN A 41 -3.306 6.369 -7.428 1.00 0.00 N ATOM 665 CA GLN A 41 -3.277 7.651 -8.094 1.00 0.00 C ATOM 666 C GLN A 41 -2.170 8.501 -7.521 1.00 0.00 C ATOM 667 O GLN A 41 -1.634 9.370 -8.207 1.00 0.00 O ATOM 668 CB GLN A 41 -4.608 8.413 -7.901 1.00 0.00 C ATOM 669 CG GLN A 41 -5.790 7.733 -8.616 1.00 0.00 C ATOM 670 CD GLN A 41 -7.111 8.392 -8.198 1.00 0.00 C ATOM 671 OE1 GLN A 41 -7.930 7.770 -7.510 1.00 0.00 O ATOM 672 NE2 GLN A 41 -7.310 9.675 -8.631 1.00 0.00 N ATOM 0 H GLN A 41 -4.004 6.307 -6.687 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.115 7.465 -9.156 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.828 8.489 -6.836 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.498 9.430 -8.277 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.663 7.808 -9.696 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.811 6.671 -8.371 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.599 10.139 -9.196 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.170 10.168 -8.388 1.00 0.00 H new ATOM 681 N GLU A 42 -1.826 8.272 -6.232 1.00 0.00 N ATOM 682 CA GLU A 42 -1.028 9.174 -5.441 1.00 0.00 C ATOM 683 C GLU A 42 0.430 8.966 -5.642 1.00 0.00 C ATOM 684 O GLU A 42 1.127 9.812 -6.200 1.00 0.00 O ATOM 685 CB GLU A 42 -1.333 8.999 -3.935 1.00 0.00 C ATOM 686 CG GLU A 42 -0.661 10.028 -3.006 1.00 0.00 C ATOM 687 CD GLU A 42 -1.063 9.747 -1.559 1.00 0.00 C ATOM 688 OE1 GLU A 42 -0.739 8.635 -1.061 1.00 0.00 O ATOM 689 OE2 GLU A 42 -1.695 10.638 -0.932 1.00 0.00 O ATOM 0 H GLU A 42 -2.111 7.434 -5.725 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.291 10.179 -5.772 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.412 9.053 -3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.020 8.000 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.423 9.975 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.959 11.038 -3.288 1.00 0.00 H new ATOM 696 N LEU A 43 0.911 7.802 -5.164 1.00 0.00 N ATOM 697 CA LEU A 43 2.286 7.392 -5.152 1.00 0.00 C ATOM 698 C LEU A 43 2.675 7.073 -6.558 1.00 0.00 C ATOM 699 O LEU A 43 3.825 7.235 -6.963 1.00 0.00 O ATOM 700 CB LEU A 43 2.444 6.125 -4.283 1.00 0.00 C ATOM 701 CG LEU A 43 1.908 6.311 -2.843 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.862 4.975 -2.086 1.00 0.00 C ATOM 703 CD2 LEU A 43 2.695 7.375 -2.058 1.00 0.00 C ATOM 0 H LEU A 43 0.296 7.098 -4.757 1.00 0.00 H new ATOM 0 HA LEU A 43 2.915 8.183 -4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.917 5.297 -4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.498 5.849 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 43 0.886 6.679 -2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.481 5.141 -1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.206 4.281 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.866 4.554 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.280 7.468 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.742 7.078 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.622 8.334 -2.571 1.00 0.00 H new ATOM 715 N GLY A 44 1.657 6.641 -7.331 1.00 0.00 N ATOM 716 CA GLY A 44 1.795 6.318 -8.722 1.00 0.00 C ATOM 717 C GLY A 44 2.005 4.849 -8.799 1.00 0.00 C ATOM 718 O GLY A 44 2.917 4.370 -9.470 1.00 0.00 O ATOM 0 H GLY A 44 0.709 6.513 -6.977 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.905 6.612 -9.278 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.636 6.853 -9.162 1.00 0.00 H new ATOM 722 N LEU A 45 1.135 4.104 -8.087 1.00 0.00 N ATOM 723 CA LEU A 45 1.138 2.658 -8.114 1.00 0.00 C ATOM 724 C LEU A 45 -0.002 2.235 -9.003 1.00 0.00 C ATOM 725 O LEU A 45 -0.596 3.049 -9.706 1.00 0.00 O ATOM 726 CB LEU A 45 0.996 2.040 -6.697 1.00 0.00 C ATOM 727 CG LEU A 45 2.277 2.188 -5.841 1.00 0.00 C ATOM 728 CD1 LEU A 45 1.987 2.072 -4.335 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.343 1.163 -6.251 1.00 0.00 C ATOM 0 H LEU A 45 0.417 4.504 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 45 2.093 2.298 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.163 2.517 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.749 0.983 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 45 2.661 3.190 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.916 2.182 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.289 2.855 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.550 1.096 -4.123 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.230 1.293 -5.631 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.950 0.155 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.607 1.312 -7.298 1.00 0.00 H new ATOM 741 N ASN A 46 -0.315 0.923 -9.001 1.00 0.00 N ATOM 742 CA ASN A 46 -1.505 0.376 -9.598 1.00 0.00 C ATOM 743 C ASN A 46 -2.168 -0.324 -8.455 1.00 0.00 C ATOM 744 O ASN A 46 -1.626 -0.391 -7.355 1.00 0.00 O ATOM 745 CB ASN A 46 -1.244 -0.654 -10.728 1.00 0.00 C ATOM 746 CG ASN A 46 -0.568 0.034 -11.922 1.00 0.00 C ATOM 747 OD1 ASN A 46 -0.868 1.191 -12.240 1.00 0.00 O ATOM 748 ND2 ASN A 46 0.355 -0.715 -12.602 1.00 0.00 N ATOM 0 H ASN A 46 0.280 0.216 -8.569 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.085 1.167 -10.072 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.611 -1.460 -10.357 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.184 -1.106 -11.043 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.832 -0.323 -13.414 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.565 -1.665 -12.297 1.00 0.00 H new ATOM 755 N GLU A 47 -3.378 -0.875 -8.691 1.00 0.00 N ATOM 756 CA GLU A 47 -4.142 -1.599 -7.702 1.00 0.00 C ATOM 757 C GLU A 47 -3.500 -2.928 -7.436 1.00 0.00 C ATOM 758 O GLU A 47 -3.476 -3.418 -6.310 1.00 0.00 O ATOM 759 CB GLU A 47 -5.581 -1.868 -8.191 1.00 0.00 C ATOM 760 CG GLU A 47 -6.233 -0.585 -8.717 1.00 0.00 C ATOM 761 CD GLU A 47 -7.747 -0.756 -8.784 1.00 0.00 C ATOM 762 OE1 GLU A 47 -8.210 -1.621 -9.576 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.462 -0.030 -8.044 1.00 0.00 O ATOM 0 H GLU A 47 -3.843 -0.817 -9.597 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.169 -0.987 -6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.566 -2.621 -8.979 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.177 -2.274 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.982 0.253 -8.066 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.842 -0.348 -9.706 1.00 0.00 H new ATOM 770 N SER A 48 -2.952 -3.505 -8.522 1.00 0.00 N ATOM 771 CA SER A 48 -2.385 -4.831 -8.603 1.00 0.00 C ATOM 772 C SER A 48 -1.101 -4.940 -7.812 1.00 0.00 C ATOM 773 O SER A 48 -0.801 -5.994 -7.256 1.00 0.00 O ATOM 774 CB SER A 48 -2.112 -5.213 -10.082 1.00 0.00 C ATOM 775 OG SER A 48 -1.780 -6.589 -10.236 1.00 0.00 O ATOM 0 H SER A 48 -2.898 -3.012 -9.413 1.00 0.00 H new ATOM 0 HA SER A 48 -3.112 -5.520 -8.173 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.993 -4.986 -10.682 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.297 -4.600 -10.468 1.00 0.00 H new ATOM 0 HG SER A 48 -1.618 -6.783 -11.183 1.00 0.00 H new ATOM 781 N GLN A 49 -0.316 -3.840 -7.742 1.00 0.00 N ATOM 782 CA GLN A 49 0.955 -3.791 -7.067 1.00 0.00 C ATOM 783 C GLN A 49 0.771 -3.759 -5.573 1.00 0.00 C ATOM 784 O GLN A 49 1.559 -4.341 -4.830 1.00 0.00 O ATOM 785 CB GLN A 49 1.731 -2.517 -7.457 1.00 0.00 C ATOM 786 CG GLN A 49 2.092 -2.468 -8.949 1.00 0.00 C ATOM 787 CD GLN A 49 2.959 -1.232 -9.206 1.00 0.00 C ATOM 788 OE1 GLN A 49 4.052 -1.110 -8.640 1.00 0.00 O ATOM 789 NE2 GLN A 49 2.460 -0.305 -10.076 1.00 0.00 N ATOM 0 H GLN A 49 -0.576 -2.952 -8.171 1.00 0.00 H new ATOM 0 HA GLN A 49 1.505 -4.684 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.132 -1.642 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.645 -2.459 -6.866 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.628 -3.372 -9.238 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.187 -2.427 -9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.552 -0.455 -10.516 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.995 0.537 -10.286 1.00 0.00 H new ATOM 798 N ILE A 50 -0.291 -3.061 -5.114 1.00 0.00 N ATOM 799 CA ILE A 50 -0.578 -2.816 -3.722 1.00 0.00 C ATOM 800 C ILE A 50 -1.244 -4.039 -3.136 1.00 0.00 C ATOM 801 O ILE A 50 -1.097 -4.326 -1.948 1.00 0.00 O ATOM 802 CB ILE A 50 -1.462 -1.588 -3.547 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.830 -0.343 -4.210 1.00 0.00 C ATOM 804 CG2 ILE A 50 -1.664 -1.312 -2.050 1.00 0.00 C ATOM 805 CD1 ILE A 50 -1.828 0.806 -4.363 1.00 0.00 C ATOM 0 H ILE A 50 -0.982 -2.648 -5.740 1.00 0.00 H new ATOM 0 HA ILE A 50 0.356 -2.619 -3.196 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.419 -1.788 -4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.018 -0.007 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.440 -0.615 -5.191 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.297 -0.433 -1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.142 -2.173 -1.583 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.697 -1.134 -1.579 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.335 1.656 -4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.663 0.482 -4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.198 1.100 -3.381 1.00 0.00 H new ATOM 817 N LYS A 51 -1.962 -4.818 -3.986 1.00 0.00 N ATOM 818 CA LYS A 51 -2.645 -6.053 -3.659 1.00 0.00 C ATOM 819 C LYS A 51 -1.685 -7.036 -3.047 1.00 0.00 C ATOM 820 O LYS A 51 -1.944 -7.615 -1.995 1.00 0.00 O ATOM 821 CB LYS A 51 -3.242 -6.678 -4.947 1.00 0.00 C ATOM 822 CG LYS A 51 -4.362 -7.714 -4.750 1.00 0.00 C ATOM 823 CD LYS A 51 -3.885 -9.161 -4.554 1.00 0.00 C ATOM 824 CE LYS A 51 -5.048 -10.154 -4.437 1.00 0.00 C ATOM 825 NZ LYS A 51 -4.552 -11.540 -4.271 1.00 0.00 N ATOM 0 H LYS A 51 -2.073 -4.568 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.440 -5.829 -2.947 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.629 -5.872 -5.570 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.433 -7.151 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.956 -7.423 -3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -5.023 -7.680 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.250 -9.447 -5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.271 -9.219 -3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.676 -9.885 -3.587 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.674 -10.093 -5.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.272 -12.209 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.678 -11.664 -4.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.357 -11.721 -3.266 1.00 0.00 H new ATOM 839 N ILE A 52 -0.524 -7.181 -3.716 1.00 0.00 N ATOM 840 CA ILE A 52 0.582 -8.023 -3.375 1.00 0.00 C ATOM 841 C ILE A 52 1.217 -7.570 -2.085 1.00 0.00 C ATOM 842 O ILE A 52 1.417 -8.378 -1.179 1.00 0.00 O ATOM 843 CB ILE A 52 1.564 -7.990 -4.542 1.00 0.00 C ATOM 844 CG1 ILE A 52 0.941 -8.691 -5.777 1.00 0.00 C ATOM 845 CG2 ILE A 52 2.915 -8.599 -4.137 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.742 -8.491 -7.069 1.00 0.00 C ATOM 0 H ILE A 52 -0.347 -6.659 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 52 0.253 -9.049 -3.209 1.00 0.00 H new ATOM 0 HB ILE A 52 1.762 -6.954 -4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.857 -9.759 -5.574 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.071 -8.314 -5.925 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.599 -8.564 -4.985 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.336 -8.031 -3.308 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.770 -9.635 -3.830 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.245 -9.010 -7.889 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.804 -7.427 -7.297 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.747 -8.894 -6.940 1.00 0.00 H new ATOM 858 N TRP A 53 1.544 -6.262 -1.997 1.00 0.00 N ATOM 859 CA TRP A 53 2.336 -5.644 -0.950 1.00 0.00 C ATOM 860 C TRP A 53 1.787 -5.882 0.438 1.00 0.00 C ATOM 861 O TRP A 53 2.532 -6.280 1.330 1.00 0.00 O ATOM 862 CB TRP A 53 2.494 -4.111 -1.179 1.00 0.00 C ATOM 863 CG TRP A 53 3.587 -3.399 -0.381 1.00 0.00 C ATOM 864 CD1 TRP A 53 4.874 -3.125 -0.755 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.420 -2.816 0.926 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.510 -2.384 0.217 1.00 0.00 N ATOM 867 CE2 TRP A 53 4.635 -2.179 1.260 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.342 -2.791 1.800 1.00 0.00 C ATOM 869 CZ2 TRP A 53 4.776 -1.496 2.468 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.489 -2.137 3.028 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.690 -1.498 3.357 1.00 0.00 C ATOM 0 H TRP A 53 1.239 -5.587 -2.699 1.00 0.00 H new ATOM 0 HA TRP A 53 3.311 -6.128 -1.010 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.686 -3.945 -2.239 1.00 0.00 H new ATOM 0 HB3 TRP A 53 1.541 -3.634 -0.949 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.328 -3.444 -1.682 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.470 -2.044 0.171 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.409 -3.267 1.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.693 -0.981 2.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.668 -2.125 3.729 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.782 -0.999 4.310 1.00 0.00 H new ATOM 882 N PHE A 54 0.470 -5.645 0.651 1.00 0.00 N ATOM 883 CA PHE A 54 -0.147 -5.655 1.961 1.00 0.00 C ATOM 884 C PHE A 54 -0.310 -7.054 2.494 1.00 0.00 C ATOM 885 O PHE A 54 -0.238 -7.259 3.704 1.00 0.00 O ATOM 886 CB PHE A 54 -1.527 -4.942 1.959 1.00 0.00 C ATOM 887 CG PHE A 54 -1.344 -3.460 2.188 1.00 0.00 C ATOM 888 CD1 PHE A 54 -1.049 -2.590 1.126 1.00 0.00 C ATOM 889 CD2 PHE A 54 -1.427 -2.928 3.487 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.821 -1.227 1.355 1.00 0.00 C ATOM 891 CE2 PHE A 54 -1.218 -1.561 3.718 1.00 0.00 C ATOM 892 CZ PHE A 54 -0.901 -0.713 2.653 1.00 0.00 C ATOM 0 H PHE A 54 -0.185 -5.441 -0.104 1.00 0.00 H new ATOM 0 HA PHE A 54 0.530 -5.106 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.032 -5.112 1.008 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.164 -5.363 2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.997 -2.977 0.119 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -1.655 -3.580 4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.583 -0.573 0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.302 -1.163 4.719 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.718 0.336 2.832 1.00 0.00 H new ATOM 902 N GLN A 55 -0.505 -8.055 1.602 1.00 0.00 N ATOM 903 CA GLN A 55 -0.662 -9.438 1.971 1.00 0.00 C ATOM 904 C GLN A 55 0.640 -10.036 2.417 1.00 0.00 C ATOM 905 O GLN A 55 0.666 -10.860 3.327 1.00 0.00 O ATOM 906 CB GLN A 55 -1.166 -10.284 0.785 1.00 0.00 C ATOM 907 CG GLN A 55 -2.599 -9.927 0.358 1.00 0.00 C ATOM 908 CD GLN A 55 -3.061 -10.850 -0.779 1.00 0.00 C ATOM 909 OE1 GLN A 55 -4.138 -11.451 -0.698 1.00 0.00 O ATOM 910 NE2 GLN A 55 -2.220 -10.956 -1.854 1.00 0.00 N ATOM 0 H GLN A 55 -0.555 -7.897 0.596 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.388 -9.453 2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.495 -10.146 -0.063 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.126 -11.339 1.055 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.274 -10.021 1.209 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.640 -8.888 0.032 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.342 -10.437 -1.868 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.471 -11.554 -2.641 1.00 0.00 H new ATOM 919 N ASN A 56 1.748 -9.617 1.772 1.00 0.00 N ATOM 920 CA ASN A 56 3.086 -10.108 2.001 1.00 0.00 C ATOM 921 C ASN A 56 3.592 -9.679 3.350 1.00 0.00 C ATOM 922 O ASN A 56 4.234 -10.462 4.045 1.00 0.00 O ATOM 923 CB ASN A 56 4.076 -9.543 0.953 1.00 0.00 C ATOM 924 CG ASN A 56 3.881 -10.206 -0.420 1.00 0.00 C ATOM 925 OD1 ASN A 56 3.036 -11.089 -0.609 1.00 0.00 O ATOM 926 ND2 ASN A 56 4.713 -9.747 -1.406 1.00 0.00 N ATOM 0 H ASN A 56 1.713 -8.897 1.051 1.00 0.00 H new ATOM 0 HA ASN A 56 3.032 -11.195 1.933 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.935 -8.466 0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.099 -9.703 1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.652 -10.136 -2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.394 -9.016 -1.199 1.00 0.00 H new ATOM 933 N LYS A 57 3.304 -8.417 3.735 1.00 0.00 N ATOM 934 CA LYS A 57 3.748 -7.784 4.957 1.00 0.00 C ATOM 935 C LYS A 57 3.181 -8.421 6.190 1.00 0.00 C ATOM 936 O LYS A 57 3.876 -8.608 7.187 1.00 0.00 O ATOM 937 CB LYS A 57 3.324 -6.297 4.983 1.00 0.00 C ATOM 938 CG LYS A 57 4.204 -5.396 4.110 1.00 0.00 C ATOM 939 CD LYS A 57 5.662 -5.467 4.570 1.00 0.00 C ATOM 940 CE LYS A 57 6.465 -4.208 4.235 1.00 0.00 C ATOM 941 NZ LYS A 57 7.847 -4.307 4.753 1.00 0.00 N ATOM 0 H LYS A 57 2.728 -7.799 3.163 1.00 0.00 H new ATOM 0 HA LYS A 57 4.832 -7.896 4.964 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.290 -6.216 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.355 -5.936 6.011 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.130 -5.704 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 57 3.849 -4.367 4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.688 -5.630 5.647 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.141 -6.329 4.105 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.487 -4.063 3.155 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.974 -3.334 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.371 -3.441 4.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.823 -4.422 5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.320 -5.128 4.324 1.00 0.00 H new ATOM 955 N ARG A 58 1.887 -8.765 6.132 1.00 0.00 N ATOM 956 CA ARG A 58 1.190 -9.477 7.178 1.00 0.00 C ATOM 957 C ARG A 58 1.662 -10.905 7.270 1.00 0.00 C ATOM 958 O ARG A 58 2.099 -11.362 8.326 1.00 0.00 O ATOM 959 CB ARG A 58 -0.344 -9.473 6.978 1.00 0.00 C ATOM 960 CG ARG A 58 -0.953 -8.080 7.201 1.00 0.00 C ATOM 961 CD ARG A 58 -2.490 -8.067 7.216 1.00 0.00 C ATOM 962 NE ARG A 58 -3.010 -8.332 5.830 1.00 0.00 N ATOM 963 CZ ARG A 58 -3.317 -7.340 4.939 1.00 0.00 C ATOM 964 NH1 ARG A 58 -3.170 -6.023 5.264 1.00 0.00 N ATOM 965 NH2 ARG A 58 -3.776 -7.676 3.698 1.00 0.00 N ATOM 0 H ARG A 58 1.294 -8.544 5.332 1.00 0.00 H new ATOM 0 HA ARG A 58 1.419 -8.949 8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.578 -9.813 5.969 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.801 -10.182 7.668 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.587 -7.681 8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.601 -7.411 6.416 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.863 -8.823 7.906 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.852 -7.103 7.573 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.141 -9.301 5.539 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.825 -5.761 6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.405 -5.300 4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.887 -8.658 3.444 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.008 -6.945 3.025 1.00 0.00 H new ATOM 979 N ALA A 59 1.565 -11.629 6.138 1.00 0.00 N ATOM 980 CA ALA A 59 1.783 -13.052 6.026 1.00 0.00 C ATOM 981 C ALA A 59 3.206 -13.399 5.660 1.00 0.00 C ATOM 982 O ALA A 59 3.421 -14.297 4.844 1.00 0.00 O ATOM 983 CB ALA A 59 0.838 -13.706 5.000 1.00 0.00 C ATOM 0 H ALA A 59 1.320 -11.201 5.245 1.00 0.00 H new ATOM 0 HA ALA A 59 1.570 -13.448 7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.039 -14.776 4.950 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.196 -13.545 5.304 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.002 -13.260 4.019 1.00 0.00 H new ATOM 989 N LYS A 60 4.216 -12.702 6.244 1.00 0.00 N ATOM 990 CA LYS A 60 5.630 -12.968 6.040 1.00 0.00 C ATOM 991 C LYS A 60 5.981 -14.393 6.377 1.00 0.00 C ATOM 992 O LYS A 60 6.445 -15.141 5.516 1.00 0.00 O ATOM 993 CB LYS A 60 6.527 -12.057 6.912 1.00 0.00 C ATOM 994 CG LYS A 60 6.497 -10.588 6.474 1.00 0.00 C ATOM 995 CD LYS A 60 7.088 -9.619 7.511 1.00 0.00 C ATOM 996 CE LYS A 60 8.588 -9.814 7.767 1.00 0.00 C ATOM 997 NZ LYS A 60 9.086 -8.824 8.750 1.00 0.00 N ATOM 0 H LYS A 60 4.045 -11.925 6.882 1.00 0.00 H new ATOM 0 HA LYS A 60 5.812 -12.769 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.205 -12.127 7.951 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.553 -12.421 6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 60 7.049 -10.486 5.539 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.466 -10.301 6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.918 -8.596 7.175 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.551 -9.739 8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.771 -10.823 8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.138 -9.712 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.103 -8.974 8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.930 -7.863 8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.575 -8.939 9.648 1.00 0.00 H new ATOM 1011 N ILE A 61 5.745 -14.801 7.646 1.00 0.00 N ATOM 1012 CA ILE A 61 6.033 -16.111 8.137 1.00 0.00 C ATOM 1013 C ILE A 61 4.943 -17.063 7.717 1.00 0.00 C ATOM 1014 O ILE A 61 3.802 -16.670 7.469 1.00 0.00 O ATOM 1015 CB ILE A 61 6.213 -16.049 9.644 1.00 0.00 C ATOM 1016 CG1 ILE A 61 7.011 -17.250 10.189 1.00 0.00 C ATOM 1017 CG2 ILE A 61 4.867 -15.812 10.372 1.00 0.00 C ATOM 1018 CD1 ILE A 61 7.535 -16.955 11.589 1.00 0.00 C ATOM 0 H ILE A 61 5.337 -14.189 8.353 1.00 0.00 H new ATOM 0 HA ILE A 61 6.963 -16.487 7.711 1.00 0.00 H new ATOM 0 HB ILE A 61 6.828 -15.176 9.864 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.376 -18.135 10.212 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.844 -17.473 9.522 1.00 0.00 H new ATOM 0 HG21 ILE A 61 5.037 -15.774 11.448 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.435 -14.868 10.039 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.181 -16.627 10.142 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.095 -17.815 11.956 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.188 -16.083 11.557 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.697 -16.756 12.257 1.00 0.00 H new ATOM 1030 N LYS A 62 5.316 -18.349 7.597 1.00 0.00 N ATOM 1031 CA LYS A 62 4.451 -19.419 7.183 1.00 0.00 C ATOM 1032 C LYS A 62 4.875 -20.638 7.956 1.00 0.00 C ATOM 1033 O LYS A 62 4.077 -21.540 8.198 1.00 0.00 O ATOM 1034 CB LYS A 62 4.536 -19.701 5.660 1.00 0.00 C ATOM 1035 CG LYS A 62 5.958 -19.917 5.112 1.00 0.00 C ATOM 1036 CD LYS A 62 5.995 -20.103 3.588 1.00 0.00 C ATOM 1037 CE LYS A 62 7.420 -20.290 3.052 1.00 0.00 C ATOM 1038 NZ LYS A 62 7.419 -20.478 1.583 1.00 0.00 N ATOM 0 H LYS A 62 6.266 -18.662 7.797 1.00 0.00 H new ATOM 0 HA LYS A 62 3.415 -19.146 7.382 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.940 -20.586 5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.081 -18.867 5.126 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.579 -19.063 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.396 -20.794 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.392 -20.969 3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.541 -19.236 3.109 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.025 -19.421 3.310 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.881 -21.153 3.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.396 -20.602 1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.860 -21.321 1.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.000 -19.643 1.126 1.00 0.00 H new ATOM 1052 N LYS A 63 6.164 -20.665 8.370 1.00 0.00 N ATOM 1053 CA LYS A 63 6.798 -21.753 9.066 1.00 0.00 C ATOM 1054 C LYS A 63 6.664 -21.527 10.552 1.00 0.00 C ATOM 1055 O LYS A 63 6.023 -20.575 10.994 1.00 0.00 O ATOM 1056 CB LYS A 63 8.286 -21.882 8.654 1.00 0.00 C ATOM 1057 CG LYS A 63 9.087 -20.572 8.776 1.00 0.00 C ATOM 1058 CD LYS A 63 10.536 -20.670 8.269 1.00 0.00 C ATOM 1059 CE LYS A 63 11.437 -21.573 9.121 1.00 0.00 C ATOM 1060 NZ LYS A 63 12.820 -21.586 8.594 1.00 0.00 N ATOM 0 H LYS A 63 6.798 -19.882 8.209 1.00 0.00 H new ATOM 0 HA LYS A 63 6.308 -22.689 8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.759 -22.644 9.274 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.338 -22.232 7.623 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.571 -19.790 8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.100 -20.263 9.821 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.527 -21.045 7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.967 -19.669 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.440 -21.221 10.153 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.038 -22.587 9.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.036 -22.527 8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 12.911 -20.874 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.486 -21.365 9.362 1.00 0.00 H new ATOM 1074 N ALA A 64 7.251 -22.442 11.359 1.00 0.00 N ATOM 1075 CA ALA A 64 7.111 -22.457 12.795 1.00 0.00 C ATOM 1076 C ALA A 64 8.127 -21.540 13.413 1.00 0.00 C ATOM 1077 O ALA A 64 7.771 -20.538 14.032 1.00 0.00 O ATOM 1078 CB ALA A 64 7.302 -23.874 13.374 1.00 0.00 C ATOM 0 H ALA A 64 7.841 -23.194 11.003 1.00 0.00 H new ATOM 0 HA ALA A 64 6.101 -22.122 13.030 1.00 0.00 H new ATOM 0 HB1 ALA A 64 7.189 -23.843 14.458 1.00 0.00 H new ATOM 0 HB2 ALA A 64 6.554 -24.544 12.950 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.298 -24.238 13.124 1.00 0.00 H new ATOM 1084 N THR A 65 9.431 -21.872 13.247 1.00 0.00 N ATOM 1085 CA THR A 65 10.541 -21.166 13.844 1.00 0.00 C ATOM 1086 C THR A 65 10.842 -19.942 13.000 1.00 0.00 C ATOM 1087 O THR A 65 10.229 -19.731 11.956 1.00 0.00 O ATOM 1088 CB THR A 65 11.750 -22.092 14.018 1.00 0.00 C ATOM 1089 OG1 THR A 65 12.757 -21.532 14.856 1.00 0.00 O ATOM 1090 CG2 THR A 65 12.356 -22.506 12.657 1.00 0.00 C ATOM 0 H THR A 65 9.725 -22.663 12.674 1.00 0.00 H new ATOM 0 HA THR A 65 10.284 -20.830 14.849 1.00 0.00 H new ATOM 0 HB THR A 65 11.371 -22.985 14.514 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.504 -22.162 14.936 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.210 -23.162 12.824 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.604 -23.032 12.069 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.681 -21.616 12.118 1.00 0.00 H new ATOM 1098 N GLN A 66 11.790 -19.091 13.454 1.00 0.00 N ATOM 1099 CA GLN A 66 12.189 -17.897 12.753 1.00 0.00 C ATOM 1100 C GLN A 66 13.252 -18.296 11.766 1.00 0.00 C ATOM 1101 O GLN A 66 12.983 -18.423 10.572 1.00 0.00 O ATOM 1102 CB GLN A 66 12.716 -16.792 13.705 1.00 0.00 C ATOM 1103 CG GLN A 66 11.715 -16.373 14.800 1.00 0.00 C ATOM 1104 CD GLN A 66 10.407 -15.867 14.175 1.00 0.00 C ATOM 1105 OE1 GLN A 66 10.412 -14.915 13.385 1.00 0.00 O ATOM 1106 NE2 GLN A 66 9.268 -16.525 14.552 1.00 0.00 N ATOM 0 H GLN A 66 12.292 -19.236 14.330 1.00 0.00 H new ATOM 0 HA GLN A 66 11.322 -17.467 12.252 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.632 -17.144 14.180 1.00 0.00 H new ATOM 0 HB3 GLN A 66 12.980 -15.915 13.115 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.508 -17.220 15.454 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.153 -15.592 15.421 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.323 -17.305 15.208 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.364 -16.236 14.177 1.00 0.00 H new ATOM 1115 N ALA A 67 14.488 -18.529 12.266 1.00 0.00 N ATOM 1116 CA ALA A 67 15.606 -18.970 11.472 1.00 0.00 C ATOM 1117 C ALA A 67 15.575 -20.501 11.414 1.00 0.00 C ATOM 1118 O ALA A 67 15.623 -21.141 12.499 1.00 0.00 O ATOM 1119 CB ALA A 67 16.956 -18.531 12.073 1.00 0.00 C ATOM 1120 OXT ALA A 67 15.499 -21.049 10.281 1.00 0.00 O ATOM 0 H ALA A 67 14.717 -18.407 13.253 1.00 0.00 H new ATOM 0 HA ALA A 67 15.519 -18.523 10.482 1.00 0.00 H new ATOM 0 HB1 ALA A 67 17.769 -18.886 11.440 1.00 0.00 H new ATOM 0 HB2 ALA A 67 16.991 -17.443 12.132 1.00 0.00 H new ATOM 0 HB3 ALA A 67 17.064 -18.953 13.072 1.00 0.00 H new TER 1126 ALA A 67